1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea

C18H14FN5O5 — CID 134143529

IUPAC1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea
SMILESO=C(NNC(=O)C1C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN5O5/c19-10-6-8-11(9-7-10)20-17(28)23-22-15(26)13-14(25)21-18(29)24(16(13)27)12-4-2-1-3-5-12/h1-9,13H,(H,22,26)(H2,20,23,28)(H,21,25,29)
InChIKeyKFEUYIABWCHBAY-UHFFFAOYSA-N
MW399.34 g/mol
LogP0.88
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea

1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea (PubChem CID 134143529) has the molecular formula C18H14FN5O5 and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea
PubChem CID134143529
Molecular FormulaC18H14FN5O5
Molecular Weight399.34 g/mol
Exact Mass399.10
IUPAC Name1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea
SMILESO=C(NNC(=O)C1C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14FN5O5/c19-10-6-8-11(9-7-10)20-17(28)23-22-15(26)13-14(25)21-18(29)24(16(13)27)12-4-2-1-3-5-12/h1-9,13H,(H,22,26)(H2,20,23,28)(H,21,25,29)
InChIKeyKFEUYIABWCHBAY-UHFFFAOYSA-N
XLogP0.88
TPSA136.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-2,4,6-trioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 134156117
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CID 3106521
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7372003
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
1-(2-bromoanilino)-3-(4-fluorophenyl)urea
CID 17482426
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 4038274
methyl N-[(4-fluorophenyl)carbamoylamino]carbamate
CID 24535891
N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-fluorophenyl)benzamide
CID 1292911
5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7461320
4-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-fluorophenyl)benzamide
CID 2932945
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea (CID 134143529) is 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea is O=C(NNC(=O)C1C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea?
The InChIKey is KFEUYIABWCHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O5/c19-10-6-8-11(9-7-10)20-17(28)23-22-15(26)13-14(25)21-18(29)24(16(13)27)12-4-2-1-3-5-12/h1-9,13H,(H,22,26)(H2,20,23,28)(H,21,25,29).
What are the key properties of 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea?
1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea has a molecular weight of 399.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(2,4,6-trioxo-1-phenyl-1,3-diazinane-5-carbonyl)amino]urea is sourced from PubChem (CID 134143529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).